Glycoside
...
GD101877

Name:
None

Formula:
C21H26O9N2S

Smiles:
COc1cc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)c(OC)nc1OC

Aglycone:
COc1cc(C(=O)Nc2ccc(S)cc2)c(OC)nc1OC

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.43
AlogP: 0.25 Num_rotatable_bonds: 8
MolWt: 482.51 Num_heavy_atoms: 33
TPSA: 159.83 NumAromaticRings: 2

Unique Aglycone
AD43133
Formula: C15H16O4N2S

Smiles:
COc1cc(C(=O)Nc2ccc(S)cc2)c(OC)nc1OC
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.2
AlogP: 2.65 Num_rotatable_bonds: 5
MolWt: 320.37 Num_heavy_atoms: 22
TPSA: 69.68 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O